CID 2757031

(3-bromophenyl)(4-methoxyphenyl)methanone

Structural Information

Molecular Formula
C14H11BrO2
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C14H11BrO2/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-9H,1H3
InChIKey
VIRBFLHMELPKFP-UHFFFAOYSA-N
Compound name
(3-bromophenyl)-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

289.99423 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.001506 156.0
[M+Na]+ 312.983448 167.0
[M-H]- 288.986954 165.3
[M+NH4]+ 308.028053 175.1
[M+K]+ 328.957388 156.0
[M+H-H2O]+ 272.991490 155.2
[M+HCOO]- 334.992431 177.4
[M+CH3COO]- 349.008081 197.8
[M+Na-2H]- 310.968896 162.2
[M]+ 289.99368142 175.9
[M]- 289.99477858 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe